SCHEMBL28639045

SCHEMBL28639045

Cc1c([N+](=O)[O-])ccc2ncnc(O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
EGFR P00533 2/20 0.37
MAPT P10636 3/20 0.37
CTSB P07858 2/20 0.37
CTSH P09668 1/20 0.37
CYP3A4 P08684 1/20 0.36
GPR35 Q9HC97 1/20 0.36
DYRK1A Q13627 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
LMNA P02545 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28656976 0.81 TDP1 (0.43) TDP1TSHRSMN1; SMN2EGFRMAPT
SCHEMBL28461861 0.81 EGFR (0.37) TDP1TSHRSMN1; SMN2EGFRMAPT
SCHEMBL17827803 0.74 MAPT (0.39) SMN1; SMN2MAPTLMNAKDM4EHTT
SCHEMBL17827758 0.71
SCHEMBL2621725 0.71 LMNA (0.33) SMN1; SMN2LMNAHTT
SCHEMBL13866495 0.71 PARP1 (0.50) TDP1TSHRSMN1; SMN2CYP3A4KDM4E
SCHEMBL17827763 0.70 METAP2 (0.30) METAP2
SCHEMBL22831863 0.70 L3MBTL1 (0.52) TDP1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL29562103 0.70 L3MBTL1 (0.52) TDP1SMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL31481283 0.69 TDP1 (0.50) TDP1TSHRSMN1; SMN2MAPTCTSB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527215-B Quinazoline compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2023-12-05 CN disclosed
CN-113527215-A Quinazoline compound, preparation method and application thereof 北京赛特明强医药科技有限公司 2021-10-22 CN disclosed